1,3,9-Trimethyl-8-thioxo-8,9-dihydro-7H-purine-2,6(1H,3H)-dione (CAS 2564-54-7) — formula C8H10N4O2S, molecular weight 226.26; category organic chemicals.
| CAS Number | 2564-54-7 |
|---|---|
| Molecular Formula | C8H10N4O2S |
| Molecular Weight | 226.26 |
| LogP | -0.8 |
| Category | Organic Chemicals |
1,3,9-Trimethyl-8-thioxo-8,9-dihydro-7H-purine-2,6(1H,3H)-dione is a carbon-based organic compound with CAS registry number 2564-54-7 and molecular formula C8H10N4O2S (molecular weight 226.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2564-54-7
Its molecular formula C8H10N4O2S comprises 8 C, 10 H, 4 N, 2 O, 1 S atoms.
Also known as: 1,3,9-Trimethyl-8-thioxo-8,9-dihydro-7H-purine-2,6(1H,3H)-dione · 1,3,9-三甲基-8-硫代-8,9-二氢-7H-嘌呤-2,6(1H,3H)-二酮
Category: organic chemicals
The CAS registry number of 1,3,9-Trimethyl-8-thioxo-8,9-dihydro-7H-purine-2,6(1H,3H)-dione is 2564-54-7.
Molecular formula C8H10N4O2S, molecular weight 226.26.
It is also registered under: 1,3,9-Trimethyl-8-thioxo-8,9-dihydro-7H-purine-2,6(1H,3H)-dione, 1,3,9-三甲基-8-硫代-8,9-二氢-7H-嘌呤-2,6(1H,3H)-二酮.
Category: Organic Chemicals.
Independent reference data for 1,3,9-Trimethyl-8-thioxo-8,9-dihydro-7H-purine-2,6(1H,3H)-dione (CAS 2564-54-7), compiled from public chemistry databases.
| CAS 号 | 2564-54-7 |
|---|---|
| PubChem CID | 3033923 |
| 分子式 | C8H10N4O2S |
| IUPAC 名称 | 1,3,9-trimethyl-8-sulfanylidene-7H-purine-2,6-dione |
| UNII（FDA） | T2EN5JX3L5 |
| Molecular Weight | 226.26 |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 226.05244675 |
| Monoisotopic Mass | 226.05244675 |
| Topological Polar Surface Area | 88 |
| Heavy Atom Count | 15 |
8-Mercaptoisocaffeine; 2564-54-7; Uric acid, 1,3,9-trimethyl-8-thio-; T2EN5JX3L5; NSC-14290; RefChem:1074725; Isocaffeine, 8-mercapto-; 8-Thiol-iso-caffeine; 1,3,9-trimethyl-8-sulfanyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione; NSC 14290; NSC14290; 8-Mercapto-isocaffeine; UNII-T2EN5JX3L5; SCHEMBL25227825; DTXSID50180326; Uric acid,3,9-trimethyl-8-thio-
1,3,9-三甲基-8-硫代-8,9-二氢-7H-嘌呤-2,6(1H,3H)-二酮 · CAS 2564-54-7 · C8H10N4O2S. UNII T2EN5JX3L5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.